2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one

C17H12N4O — CID 135962857

IUPAC2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2c[nH]c3ncccc23)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H12N4O/c22-15-9-14(13-10-19-17-12(13)7-4-8-18-17)20-16(21-15)11-5-2-1-3-6-11/h1-10H,(H,18,19)(H,20,21,22)
InChIKeyJFHNNMSJFADNFU-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.98
Rot. Bonds2

About 2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one

2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one (PubChem CID 135962857) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
PubChem CID135962857
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2c[nH]c3ncccc23)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H12N4O/c22-15-9-14(13-10-19-17-12(13)7-4-8-18-17)20-16(21-15)11-5-2-1-3-6-11/h1-10H,(H,18,19)(H,20,21,22)
InChIKeyJFHNNMSJFADNFU-UHFFFAOYSA-N
XLogP2.98
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one (CID 135962857) is 2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one is O=c1cc(-c2c[nH]c3ncccc23)nc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is JFHNNMSJFADNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c22-15-9-14(13-10-19-17-12(13)7-4-8-18-17)20-16(21-15)11-5-2-1-3-6-11/h1-10H,(H,18,19)(H,20,21,22).
What are the key properties of 2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 288.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135962857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).